SCHEMBL14044007

SCHEMBL14044007

O=C(O)c1ccc(NCc2ccc(CCc3ccccc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.69
FFAR4 Q5NUL3 4/20 0.69
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
POLB P06746 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HIF1A Q16665 2/20 0.55
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1446643 0.93 CA1 (0.70) FFAR1FFAR4CA1CA2POLB
SCHEMBL5211384 0.90 ALDH1A1 (0.65) FFAR1FFAR4CA1CA2POLB
SCHEMBL4418236 0.89 CA1 (0.59) FFAR1FFAR4CA1CA2POLB
SCHEMBL14043636 0.89 HIF1A (0.62) FFAR1FFAR4CA1CA2POLB
SCHEMBL11257944 0.87 FFAR1 (0.71) FFAR1FFAR4CA1CA2POLB
SCHEMBL14044006 0.86 MEN1 (0.54) FFAR1FFAR4CA1CA2ALDH1A1
SCHEMBL4748420 0.84 HIF1A (0.68) FFAR1FFAR4CA1CA2POLB
SCHEMBL8894364 0.84 HDAC1 (0.64) FFAR1ALDH1A1HDAC1
SCHEMBL1926270 0.84 HDAC1 (0.64) FFAR1ALDH1A1HDAC1
SCHEMBL11246349 0.83 CA1 (0.69) FFAR1FFAR4CA1CA2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008121570-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-10-09 WO disclosed